SCHEMBL1246839

SCHEMBL1246839

CC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.44
TBK1 Q9UHD2 7/20 0.41
IKBKE Q14164 6/20 0.41
MAPT P10636 1/20 0.39
MAP3K14 Q99558 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
F10 P00742 1/20 0.36
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1248179 0.79 PIM1 (0.41) IKBKBMAP3K14
SCHEMBL1249460 0.79 IKBKB (0.51) IKBKBTBK1IKBKEMAPTNPC1
SCHEMBL14059455 0.79 TBK1 (0.50) IKBKBTBK1IKBKEMAPTMAP3K14
SCHEMBL11112218 0.77 CDC7 (0.58) TBK1IKBKECDC7CCNE1CDK2
SCHEMBL1246898 0.77 PIM1 (0.39) MAP3K14
SCHEMBL2178927 0.76 TBK1 (0.43) TBK1IKBKE
SCHEMBL1248236 0.73 TBK1 (0.43) TBK1IKBKENPC1ALDH1A1GAA
SCHEMBL14059852 0.73 IKBKE (0.43) IKBKBTBK1IKBKEMAP3K14
SCHEMBL2176419 0.70 TBK1 (0.40) TBK1IKBKENPC1KDM4ERAB9A
SCHEMBL14059574 0.70 CYP3A4 (0.60) IKBKBMAPTNPC1KDM4ERAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166129-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKB 380/4885TBK1 301/4885IKBKE 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.